ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid

C11H19F3N2O4 — CID 146049431

IUPACethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)CN1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c1-2-13-9(12)7-11-5-3-8(10)4-6-11;3-2(4,5)1(6)7/h8H,2-7,10H2,1H3;(H,6,7)
InChIKeyTUYDTMXSJRVXAB-UHFFFAOYSA-N
MW300.28 g/mol
LogP0.61
Rot. Bonds3

About ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid

ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid (PubChem CID 146049431) has the molecular formula C11H19F3N2O4 and a molecular weight of 300.28 g/mol. Its IUPAC name is ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid
PubChem CID146049431
Molecular FormulaC11H19F3N2O4
Molecular Weight300.28 g/mol
Exact Mass300.13
IUPAC Nameethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)CN1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c1-2-13-9(12)7-11-5-3-8(10)4-6-11;3-2(4,5)1(6)7/h8H,2-7,10H2,1H3;(H,6,7)
InChIKeyTUYDTMXSJRVXAB-UHFFFAOYSA-N
XLogP0.61
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Oxetan-3-yl)piperidin-4-amine bis(trifluoroacetate)
CID 139022807
Butyl 2-(4-aminopiperidin-1-yl)acetate
CID 10608685
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
Methyl 2-(4-aminopiperidin-1-yl)acetate
CID 11435206
3-Morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 68771782
2-Piperidin-1-ylethyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 70419938
Ethyl 2-[4-(ethylaminomethyl)piperidin-1-yl]acetate;2,2,2-trifluoroacetic acid
CID 87069459
cis-4-Morpholinocyclohexanamine bis(2,2,2-trifluoroacetate)
CID 87279421
Ethyl 2-(2,6-dimethylpiperazin-1-yl)propanoate;2,2,2-trifluoroacetic acid
CID 87640590
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 126511688
N-ethyl-N-(oxetan-3-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 126511752
2-[Cyclopropyl(piperidin-4-yl)amino]ethyl 2,2,2-trifluoroacetate
CID 126522361

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid (CID 146049431) is ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid is CCOC(=O)CN1CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid?
The InChIKey is TUYDTMXSJRVXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2HF3O2/c1-2-13-9(12)7-11-5-3-8(10)4-6-11;3-2(4,5)1(6)7/h8H,2-7,10H2,1H3;(H,6,7).
What are the key properties of ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid?
ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid has a molecular weight of 300.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminopiperidin-1-yl)acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146049431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).